SCHEMBL5855408

SCHEMBL5855408

CCCCC(CC)C(=O)N[Ti](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
HDAC8 Q9BY41 5/20 0.34
HDAC3 O15379 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5853722 0.89 MEN1 (0.40) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL5853822 0.83 ALDH1A1 (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5853360 0.82 EPHX2 (0.37) MEN1ALDH1A1KMT2ASMN1; SMN2HDAC8
SCHEMBL5855123 0.81 EPHX2 (0.39) MEN1ALDH1A1KMT2AHDAC8HDAC3
SCHEMBL5853323 0.81 EPHX2 (0.39) MEN1ALDH1A1KMT2AHDAC8HDAC3
SCHEMBL5853727 0.81 ALOX5 (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL5853151 0.80 SIGMAR1 (0.31) MEN1MAPTMAPK1KMT2ATSHR
SCHEMBL5854622 0.79 MEN1 (0.31) MEN1ALDH1A1MAPTKMT2A
SCHEMBL5852661 0.78 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL5853329 0.76 ATM (0.32) MEN1MAPK1KMT2ACA1HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed